tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid

C12H25OP — CID 58470961

IUPACtert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
SMILESCC(C)C1CCCC1P(O)C(C)(C)C
InChIInChI=1S/C12H25OP/c1-9(2)10-7-6-8-11(10)14(13)12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyFMZSJFMTMQKBMK-UHFFFAOYSA-N
MW216.31 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid

tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid (PubChem CID 58470961) has the molecular formula C12H25OP and a molecular weight of 216.31 g/mol. Its IUPAC name is tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid.

Molecular Properties

Compound Nametert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
PubChem CID58470961
Molecular FormulaC12H25OP
Molecular Weight216.31 g/mol
Exact Mass216.16
IUPAC Nametert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid
SMILESCC(C)C1CCCC1P(O)C(C)(C)C
InChIInChI=1S/C12H25OP/c1-9(2)10-7-6-8-11(10)14(13)12(3,4)5/h9-11,13H,6-8H2,1-5H3
InChIKeyFMZSJFMTMQKBMK-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid?
The IUPAC name of tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid (CID 58470961) is tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid.
What is the SMILES notation for tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid?
The canonical SMILES for tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid is CC(C)C1CCCC1P(O)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid?
The InChIKey is FMZSJFMTMQKBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OP/c1-9(2)10-7-6-8-11(10)14(13)12(3,4)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid?
tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid has a molecular weight of 216.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-propan-2-ylcyclopentyl)phosphinous acid is sourced from PubChem (CID 58470961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).